SCHEMBL5448441

SCHEMBL5448441

Clc1cc2ccc3cccnc3c2nc1Cl.[Pt]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.61
CCR8 P51685 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 4/20 0.57
CCR5 P51681 3/20 0.57
MMP2 P08253 2/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TP53 P04637 2/20 0.57
HSP90AA1 P07900 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
MMP9 P14780 2/20 0.57
ALOX15 P16050 2/20 0.57
HTT P42858 2/20 0.57
MMP13 P45452 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GMNN O75496 1/20 0.57
CYP2D6 P10635 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30487149 1.00 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL5455738 0.98 CCR1 (0.62) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL29463567 0.98 CCR1 (0.62) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL29556537 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL30206591 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
Hydrochloric Acid SCHEMBL17472452 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL29555797 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL5445004 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
SCHEMBL16467196 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5
Hydrochloric Acid SCHEMBL17472453 0.96 CCR1 (0.61) CCR1CCR8L3MBTL1LMNACCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 EP disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
US-9556108-B2 Process for preparing substituted phenylalkanes MALLINCKRODT LLC (US) 2017-01-31 US disclosed
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT ENTERPRISES LLC 2017-01-12 US disclosed
US-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2016-01-14 US disclosed
US-20070184366-A1 DYE CONTAINING CURABLE COMPOSITION, COLOR FILTER, AND PROCESS OF PREPARING COLOR FILTER FUJIFILM CORPORATION 2007-08-09 US disclosed
US-20070099096-A1 Dye-containing curable composition, color filter and method of producing thereof FUJIFILM CORPORATION 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160009635-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES CYP2E1, CYP1B1, CYP4B1 CCR1 503/4885CCR8 1255/4885L3MBTL1 2677/4885
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES PNMT, CYP1B1, UGT2B7 CCR1 1334/4885CCR8 1947/4885L3MBTL1 2088/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.